Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate
Basic information
- CAS
70539-70-7- Standard SMILES
Cc1ccc(NP(=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1- InChIKey
SNCBPYCYUUWWEV-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2F5N2O2P
- Average molar mass
- 477.2 g/mol
- Monoisotopic mass
- 476.024661
Names & identifiers
- Preferred name
- Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate
- IUPAC
- N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline
Names & synonyms
70539-70-7NSC282444CHEMBL3229291DTXSID50314386Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidateNSC-282444DS-002345N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methyl-aniline
Database identifiers
- CAS
70539-70-7- PubChem CID
- 323291
- DTXSID
DTXSID50314386- ChEMBL
CHEMBL3229291
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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